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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4565",
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"results": [
{
"id": "jvasp-40223",
"created_at": "2022-09-04T14:37:41.747884Z",
"updated_at": "2022-09-04T14:37:41.747909Z",
"structure_string": "Sc1 Zn2 Ag1\n1.0\n0.000000 3.224546 3.224546\n3.224546 -0.000000 3.224546\n3.224546 3.224546 0.000000\nSc Zn Ag\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Zn\n0.500002 0.500002 0.500002 Zn\n0.249999 0.249999 0.249999 Ag\n",
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"Zn",
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],
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"volume_molar": 10.095472196535379,
"formula_full": "Sc1 Zn2 Ag1",
"formula_reduced": "ScZn2Ag",
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{
"id": "jvasp-39770",
"created_at": "2022-09-04T14:37:41.748410Z",
"updated_at": "2022-09-04T14:37:41.748432Z",
"structure_string": "Yb6 Ge2 O2\n1.0\n6.531253 -0.000002 -0.000001\n-0.000002 6.501819 -0.069365\n-3.265625 -3.220387 4.634603\nYb Ge O\n6 2 2\ndirect\n0.289161 0.741621 0.500007 Yb\n0.710845 0.241620 0.500007 Yb\n0.780695 0.250643 0.039669 Yb\n0.241096 0.232770 0.960354 Yb\n0.219256 0.732771 0.960354 Yb\n0.758972 0.750642 0.039669 Yb\n0.249370 0.241651 0.499972 Ge\n0.750601 0.741652 0.499973 Ge\n0.499995 0.991673 0.000005 O\n0.000010 0.491672 0.000003 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"O"
],
"chemical_system": "Ge-O-Yb",
"density": 10.33233252716008,
"density_atomic": 0.051190290828235126,
"volume": 195.3495445758296,
"volume_molar": 11.764224548375404,
"formula_full": "Yb6 Ge2 O2",
"formula_reduced": "Yb3GeO",
"formula_anonymous": "ABC3",
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"spacegroup": 15
},
{
"id": "jvasp-39651",
"created_at": "2022-09-04T14:37:41.719519Z",
"updated_at": "2022-09-04T14:37:41.719529Z",
"structure_string": "Yb2 Cd1 Pb1\n1.0\n0.000000 3.787645 3.787645\n3.787645 0.000000 3.787645\n3.787645 3.787645 0.000000\nYb Cd Pb\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb-Yb",
"density": 10.171476130738647,
"density_atomic": 0.03680630263437925,
"volume": 108.6770393574867,
"volume_molar": 16.36171070977112,
"formula_full": "Yb2 Cd1 Pb1",
"formula_reduced": "Yb2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39994",
"created_at": "2022-09-04T14:37:41.576356Z",
"updated_at": "2022-09-04T14:37:41.576375Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n-0.000000 3.640393 3.640393\n3.640393 -0.000000 3.640393\n3.640393 3.640393 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Hg"
],
"chemical_system": "Ca-Cd-Hg",
"density": 9.528499115048625,
"density_atomic": 0.04145578887182647,
"volume": 96.48833393008755,
"volume_molar": 14.526658215621783,
"formula_full": "Ca1 Cd1 Hg2",
"formula_reduced": "CaCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40923",
"created_at": "2022-09-04T14:37:41.487721Z",
"updated_at": "2022-09-04T14:37:41.487737Z",
"structure_string": "Er1 Mg1 Cd2\n1.0\n0.000000 3.559507 3.559507\n3.559507 -0.000000 3.559507\n3.559507 3.559507 -0.000000\nEr Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Cd"
],
"chemical_system": "Cd-Er-Mg",
"density": 7.66559140789762,
"density_atomic": 0.044346611541174856,
"volume": 90.198548682487,
"volume_molar": 13.57970891284123,
"formula_full": "Er1 Mg1 Cd2",
"formula_reduced": "ErMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39064",
"created_at": "2022-09-04T14:37:41.548562Z",
"updated_at": "2022-09-04T14:37:41.548572Z",
"structure_string": "Sm1 Er1 Zn2\n1.0\n-0.000000 3.567999 3.567999\n3.567999 0.000000 3.567999\n3.567999 3.567999 0.000000\nSm Er Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250001 0.250001 0.250001 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Zn"
],
"chemical_system": "Er-Sm-Zn",
"density": 8.196838310817501,
"density_atomic": 0.04403072370189102,
"volume": 90.84565648027741,
"volume_molar": 13.67713326897092,
"formula_full": "Sm1 Er1 Zn2",
"formula_reduced": "SmErZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41700",
"created_at": "2022-09-04T14:37:41.510441Z",
"updated_at": "2022-09-04T14:37:41.510463Z",
"structure_string": "Ca2 Mg1 Tl1\n1.0\n-0.000000 3.859515 3.859515\n3.859515 -0.000000 3.859515\n3.859515 3.859515 0.000000\nCa Mg Tl\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 Mg\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Ca-Mg-Tl",
"density": 4.460263257683867,
"density_atomic": 0.03478818702331338,
"volume": 114.98155961158284,
"volume_molar": 17.310878419632072,
"formula_full": "Ca2 Mg1 Tl1",
"formula_reduced": "Ca2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41368",
"created_at": "2022-09-04T14:37:41.508758Z",
"updated_at": "2022-09-04T14:37:41.508774Z",
"structure_string": "Ca1 Ac1 Hg2\n1.0\n0.000000 3.909769 3.909769\n3.909769 -0.000000 3.909769\n3.909769 3.909769 0.000000\nCa Ac Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ca\n0.250001 0.250001 0.250001 Ac\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ac",
"Hg"
],
"chemical_system": "Ac-Ca-Hg",
"density": 9.283462167521527,
"density_atomic": 0.0334639112033193,
"volume": 119.53175394522438,
"volume_molar": 17.995926188695663,
"formula_full": "Ca1 Ac1 Hg2",
"formula_reduced": "CaAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38248",
"created_at": "2022-09-04T14:37:41.506690Z",
"updated_at": "2022-09-04T14:37:41.506711Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.278174 3.278174 4.643983\n3.278174 -3.278174 4.643983\n3.278174 3.278174 -4.643983\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ga"
],
"chemical_system": "Ga-Rb",
"density": 2.7128166256829296,
"density_atomic": 0.02003758491379605,
"volume": 199.62485585006633,
"volume_molar": 30.054224528095226,
"formula_full": "Rb3 Ga1",
"formula_reduced": "Rb3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39645",
"created_at": "2022-09-04T14:37:41.478733Z",
"updated_at": "2022-09-04T14:37:41.478760Z",
"structure_string": "Na4 Mg2 Sn2\n1.0\n2.527550 -4.377845 -0.000000\n2.527550 4.377845 0.000000\n-0.000000 -0.000000 10.013912\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079121 Na\n0.666667 0.333333 0.420879 Na\n0.333333 0.666667 0.579121 Na\n0.333333 0.666667 0.920879 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.83226864608988,
"density_atomic": 0.0360990758626971,
"volume": 221.61232133553816,
"volume_molar": 16.682257415412025,
"formula_full": "Na4 Mg2 Sn2",
"formula_reduced": "Na2MgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"Sb",
"Br"
],
"chemical_system": "Bi-Br-Hg-Sb",
"density": 6.993819178326699,
"density_atomic": 0.030831807739451156,
"volume": 2335.2506803508527,
"volume_molar": 19.532233759664724,
"formula_full": "Hg24 Bi4 Sb16 Br28",
"formula_reduced": "Hg6BiSb4Br7",
"formula_anonymous": "AB4C6D7",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-39874",
"created_at": "2022-09-04T14:37:41.365761Z",
"updated_at": "2022-09-04T14:37:41.365785Z",
"structure_string": "Ca1 Nd1 Hg2\n1.0\n0.000000 3.779618 3.779618\n3.779618 0.000000 3.779618\n3.779618 3.779618 0.000000\nCa Nd Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Nd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"Nd",
"Hg"
],
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"density": 9.00331148171268,
"density_atomic": 0.03704130423073265,
"volume": 107.98755829664485,
"volume_molar": 16.25790690977753,
"formula_full": "Ca1 Nd1 Hg2",
"formula_reduced": "CaNdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}